2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid

C9H12N2O3 — CID 82399811

IUPAC2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
SMILESCc1nc(C(O)C(=O)O)c2n1CCC2
InChIInChI=1S/C9H12N2O3/c1-5-10-7(8(12)9(13)14)6-3-2-4-11(5)6/h8,12H,2-4H2,1H3,(H,13,14)
InChIKeyODQSODCMENWSFK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.26
Rot. Bonds2

About 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid

2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid (PubChem CID 82399811) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
PubChem CID82399811
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
SMILESCc1nc(C(O)C(=O)O)c2n1CCC2
InChIInChI=1S/C9H12N2O3/c1-5-10-7(8(12)9(13)14)6-3-2-4-11(5)6/h8,12H,2-4H2,1H3,(H,13,14)
InChIKeyODQSODCMENWSFK-UHFFFAOYSA-N
XLogP0.26
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83883838
2-amino-2-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83897617
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
3-methyl-7-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyridine-1-carboxylic acid
CID 105447864
1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83830664
1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 83865351
2-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125451701
2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid
CID 84741178
N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide
CID 83878925
2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125453760
2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
CID 82408630
2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 116984342

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid (CID 82399811) is 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid is Cc1nc(C(O)C(=O)O)c2n1CCC2.
What is the InChIKey of 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid?
The InChIKey is ODQSODCMENWSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-10-7(8(12)9(13)14)6-3-2-4-11(5)6/h8,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid?
2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid is sourced from PubChem (CID 82399811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).